［中文文摘］根据Vrentas-Duda自由体积理论,结合基于UNIFAC活度系数模型,在较宽的浓度范围内预测了聚合物溶液中小分子的扩散行为。对某些聚合物体系,计算结果和实验数据基本一致。表明UNIFAC-ZM模型可代替Flory-Huggins方程用于预测聚合物溶液中小分子扩散系数。调节自由体积模型中的指前因子D_0数值可改善预测结果。［英文文摘］Using a simple activity coefficient model in conjunction with the Vrentas-Duda free volume theory, the diffusion behavior of small molecular solvents between and amongst polymer chains is then predicted for several polymer/solvent systems over a wide range of concentrations . The estimations are comparable with experimental data for some systems. For diffusion coefficients over and under-predicted systems, a pre-exponential factor Dg can be adjusted to improve the predictions. It is found that the UNIFAC-ZM model is a suitable alternative to the Flory-Huggins equation for predicting mutual diffusion coefficients in polymeric solutions.国家自然基金(50243014); 教育部留学回国人员科研启动基金
